[(E)-7-(4-fluorophenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane

C23H39FOSi — CID 12965436

IUPAC[(E)-7-(4-fluorophenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane
SMILESC/C(=C\Cc1ccc(F)cc1)CCCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H39FOSi/c1-18(2)26(19(3)4,20(5)6)25-17-9-8-10-21(7)11-12-22-13-15-23(24)16-14-22/h11,13-16,18-20H,8-10,12,17H2,1-7H3/b21-11+
InChIKeyFTYUWKMINNPXMP-SRZZPIQSSA-N
MW378.65 g/mol
LogP7.68
Rot. Bonds11

About [(E)-7-(4-fluorophenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane

[(E)-7-(4-fluorophenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane (PubChem CID 12965436) has the molecular formula C23H39FOSi and a molecular weight of 378.65 g/mol. Its IUPAC name is [(E)-7-(4-fluorophenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E)-7-(4-fluorophenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane
PubChem CID12965436
Molecular FormulaC23H39FOSi
Molecular Weight378.65 g/mol
Exact Mass378.28
IUPAC Name[(E)-7-(4-fluorophenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane
SMILESC/C(=C\Cc1ccc(F)cc1)CCCCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C23H39FOSi/c1-18(2)26(19(3)4,20(5)6)25-17-9-8-10-21(7)11-12-22-13-15-23(24)16-14-22/h11,13-16,18-20H,8-10,12,17H2,1-7H3/b21-11+
InChIKeyFTYUWKMINNPXMP-SRZZPIQSSA-N
XLogP7.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.65
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Benzyltriethoxysilane
CID 75690
Benzene, ((ethoxydimethylsilyl)methyl)-
CID 86972
Benzyl(methoxy)dimethylsilane
CID 12749810
Silane, trimethyl(2-phenylethoxy)-
CID 518978
Silane, methoxydimethyl(4-methylphenyl)-
CID 142850
2-(4-Fluorophenyl)prop-2-enyl-trimethylsilane
CID 10856711
Triethyl(4-fluorophenethyl)silane
CID 10857544
Triethylsilyloxymethyl-4-fluorobenzene
CID 11107483
tert-Butyl(4-fluorobenzyloxy)dimethylsilane
CID 13861700
Trimethyl(3-phenylpropoxy)silane
CID 518979
Silane, (1,1-dimethylethyl)dimethyl(1-methyl-3-phenylpropoxy)-
CID 10890759
2-Fluorobenzyl alcohol, tert-butyldimethylsilyl ether
CID 91728155

Frequently Asked Questions

What is the IUPAC name of [(E)-7-(4-fluorophenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(E)-7-(4-fluorophenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane (CID 12965436) is [(E)-7-(4-fluorophenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(E)-7-(4-fluorophenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(E)-7-(4-fluorophenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane is C/C(=C\Cc1ccc(F)cc1)CCCCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(E)-7-(4-fluorophenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane?
The InChIKey is FTYUWKMINNPXMP-SRZZPIQSSA-N. The full InChI is InChI=1S/C23H39FOSi/c1-18(2)26(19(3)4,20(5)6)25-17-9-8-10-21(7)11-12-22-13-15-23(24)16-14-22/h11,13-16,18-20H,8-10,12,17H2,1-7H3/b21-11+.
What are the key properties of [(E)-7-(4-fluorophenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane?
[(E)-7-(4-fluorophenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane has a molecular weight of 378.65 g/mol, XLogP of 7.68, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-7-(4-fluorophenyl)-5-methylhept-5-enoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 12965436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).